| SpectraBase Compound ID | BfIbPoiUpGr |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-4-5-7-11(14)10-12(15)8-6-9-13(16)17-2/h3-10H2,1-2H3 |
| InChIKey | XKAIPTQAURKIPN-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YaqQO9brPh |
|---|---|
| Name | 5,7-Diketolauric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-3-4-5-7-11(14)10-12(15)8-6-9-13(16)17-2/h3-10H2,1-2H3 |
| InChIKey | XKAIPTQAURKIPN-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(=O)(OC)CCCC(CC(=O)CCCCC)=O |